Skipping 717 KB..
Full Log
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 54.229
LDB: Largest compute 200 load 0.432819 is 1.2% of average load 36.772775
LDB: Average compute 0.051517 is 0.1% of average load 36.772775
LDB: Partitioning computes with target load 3.677278
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055611
LDB: ============== END OF LOAD BALANCING =============== 54.2312
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.232
Info: Initial time: 4 CPUs 0.473452 s/step 5.47977 days/ns 3221.58 MB memory
TIMING: 100 CPU: 48.3158, 0.472486/step Wall: 48.3158, 0.472486/step, 0.0524984 hours remaining, 3221.578125 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 63.6658
LDB: ============== END OF LOAD BALANCING =============== 63.6658
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.6663
TIMING: 120 CPU: 57.7498, 0.4717/step Wall: 57.7498, 0.4717/step, 0.0497905 hours remaining, 3221.839844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 138 21874.8524 19195.4801 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.1743, 0.471229/step Wall: 67.1743, 0.471229/step, 0.0471229 hours remaining, 3222.031250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 140 20992.5977 17997.1577 5722.1741 192.2140 -333726.9442 21127.4061 0.0000 0.0000 45144.2513 -222551.1433 164.2224 -267695.3946 -222224.0362 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -3080.3638
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 160 CPU: 76.588, 0.470683/step Wall: 76.588, 0.470683/step, 0.0444534 hours remaining, 3222.164062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 162 22512.8124 18508.1492 5697.2826 183.0024 -333202.6496 20887.8857 0.0000 0.0000 43070.6067 -222342.9105 156.6790 -265413.5172 -222161.4907 156.6790 -5004.1554 -2859.8870 921491.4634 -5004.1554 -2859.8870
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ENERGY: 168 21619.4181 19999.6889 5775.3367 206.4584 -333382.4927 20963.4338 0.0000 0.0000 42492.3351 -222325.8218 154.5754 -264818.1568 -222149.7709 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -2933.5976
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 177 21863.3195 18664.1735 5738.9484 156.2659 -332371.2414 20981.6519 0.0000 0.0000 42714.2626 -222252.6196 155.3827 -264966.8822 -222125.5137 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7900 18733.9559 5737.6245 154.5770 -332975.2977 21015.2133 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1370 -222126.1322 156.7902 -2936.2256 -2665.7683 921491.4634 -2936.2256 -2665.7683
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TIMING: 180 CPU: 85.9895, 0.470073/step Wall: 85.9895, 0.470073/step, 0.0417843 hours remaining, 3222.320312 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0405 19234.9570 5686.4352 181.9571 -332240.0938 21043.7459 0.0000 0.0000 44391.5888 -222435.3693 161.4844 -266826.9580 -222129.2889 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4302 5678.7399 184.6336 -333156.1128 21076.9264 0.0000 0.0000 42449.0057 -222222.0802 154.4178 -264671.0859 -222130.9081 154.4178 -3641.8535 -2802.0866 921491.4634 -3641.8535 -2802.0866
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 197 21700.3669 19122.7580 5714.1451 184.7200 -332668.2733 21129.4588 0.0000 0.0000 42574.3654 -222242.4591 154.8738 -264816.8245 -222086.7183 154.8738 -3040.7436 -2596.5495 921491.4634 -3040.7436 -2596.5495
ENERGY: 198 21224.0061 18800.3005 5711.3574 186.3640 -333385.5000 21161.1534 0.0000 0.0000 43911.2863 -222391.0324 159.7372 -266302.3187 -222090.4395 159.7372 -4381.6808 -2646.7680 921491.4634 -4381.6808 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.307
LDB: Largest compute 200 load 0.428073 is 1.2% of average load 36.596618
LDB: Average compute 0.051256 is 0.1% of average load 36.596618
LDB: TIME 101.309 LOAD: AVG 36.5966 MAX 37.6407 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.61 MB
LDB: TIME 101.311 LOAD: AVG 36.5966 MAX 37.5555 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.61 MB
LDB: ============== END OF LOAD BALANCING =============== 101.313
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.316
Info: Initial time: 4 CPUs 0.470739 s/step 5.44837 days/ns 3223.61 MB memory
TIMING: 200 CPU: 95.3995, 0.470501/step Wall: 95.3995, 0.470501/step, 0.0392084 hours remaining, 3223.609375 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6838 18595.6349 5711.8747 190.0258 -334670.2812 21209.9248 0.0000 0.0000 45319.1600 -222569.9774 164.8586 -267889.1374 -222114.5247 164.8586 -5241.8527 -2703.6813 921491.4634 -5241.8527 -2703.6813
ENERGY: 201 23380.1030 18674.3332 5716.2802 191.4188 -334751.7132 21239.1341 0.0000 0.0000 43222.4694 -222327.9744 157.2315 -265550.4438 -222100.1080 157.2315 -4546.2005 -2661.1900 921491.4634 -4546.2005 -2661.1900
ENERGY: 202 23622.8117 18850.8449 5722.5980 192.1474 -334305.3007 21243.2752 0.0000 0.0000 42432.5586 -222241.0649 154.3580 -264673.6235 -222096.8293 154.3580 -3005.0519 -2588.0013 921491.4634 -3005.0519 -2588.0013
ENERGY: 203 20743.8946 19130.0389 5729.2400 192.0764 -333501.9373 21215.8254 0.0000 0.0000 44059.6985 -222431.1636 160.2771 -266490.8621 -222093.6429 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6124 19486.9555 5734.1463 191.2124 -332722.2200 21188.8403 0.0000 0.0000 45629.4718 -222628.9813 165.9875 -268258.4531 -222116.7005 165.9875 452.9933 -2462.2930 921491.4634 452.9933 -2462.2930
ENERGY: 205 18189.0790 19868.9413 5735.7153 189.6741 -332398.2552 21197.9186 0.0000 0.0000 44690.7148 -222526.2120 162.5725 -267216.9269 -222099.8064 162.5725 731.8535 -2447.6354 921491.4634 731.8535 -2447.6354
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ENERGY: 207 21693.8032 20338.2889 5726.5434 185.3060 -333603.9794 21289.9002 0.0000 0.0000 42143.6913 -222226.4462 153.3072 -264370.1376 -222103.0935 153.3072 -1896.3478 -2585.9683 921491.4634 -1896.3478 -2585.9683
ENERGY: 208 20293.2704 20371.8902 5718.1572 182.8654 -334789.2380 21322.2411 0.0000 0.0000 44428.6269 -222472.1868 161.6191 -266900.8137 -222122.6317 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8172 20325.0058 5710.3389 180.5135 -335910.2417 21349.5045 0.0000 0.0000 46273.6800 -222642.3818 168.3309 -268916.0618 -222106.7903 168.3309 -5197.7274 -2836.6306 921491.4634 -5197.7274 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2569 5705.3139 178.4614 -336615.7772 21385.1097 0.0000 0.0000 45251.4334 -222516.0284 164.6123 -267767.4618 -222108.2019 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1928 19985.8632 5704.9373 176.9105 -336667.8931 21415.1478 0.0000 0.0000 43031.7285 -222254.1131 156.5376 -265285.8416 -222106.8544 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2710 19730.8223 5710.0295 176.0352 -336013.6230 21412.5984 0.0000 0.0000 42995.1637 -222249.7028 156.4046 -265244.8665 -222104.2321 156.4046 -4424.1003 -2820.3211 921491.4634 -4424.1003 -2820.3211
ENERGY: 213 20150.2161 19524.5249 5720.1722 175.9508 -334874.6446 21380.5553 0.0000 0.0000 45418.7804 -222504.4449 165.2210 -267923.2254 -222097.3837 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5529 19421.7448 5733.3059 176.6827 -333645.3939 21358.4487 0.0000 0.0000 46958.4702 -222681.1887 170.8220 -269639.6589 -222093.7409 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3325 21379.5598 0.0000 0.0000 45302.6746 -222527.8919 164.7987 -267830.5665 -222091.0449 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4716 19522.5062 5756.9571 180.1770 -332560.1062 21436.4837 0.0000 0.0000 42442.1788 -222248.3318 154.3930 -264690.5106 -222073.6156 154.3930 420.9903 -2541.5428 921491.4634 420.9903 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6759 21497.2707 0.0000 0.0000 41983.6750 -222225.0683 152.7251 -264208.7432 -222064.4465 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9158 19540.0890 5761.2415 184.9927 -333856.1148 21546.6562 0.0000 0.0000 44178.6835 -222478.5361 160.7099 -266657.2196 -222068.8155 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 104.814, 0.470739/step Wall: 104.814, 0.470739/step, 0.036613 hours remaining, 3223.609375 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 240 CPU: 114.222, 0.470375/step Wall: 114.222, 0.470375/step, 0.0339716 hours remaining, 3223.609375 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 242 22110.7716 20111.8208 5758.5348 169.0441 -335904.8198 21831.0568 0.0000 0.0000 43526.8720 -222396.7198 158.3388 -265923.5917 -222063.5738 158.3388 -4623.1689 -2633.0914 921491.4634 -4623.1689 -2633.0914
ENERGY: 243 19462.3619 19969.6444 5749.3614 168.8705 -335233.7070 21770.4749 0.0000 0.0000 45537.0690 -222575.9248 165.6513 -268112.9938 -222061.6676 165.6513 -3760.4505 -2614.6993 921491.4634 -3760.4505 -2614.6993
ENERGY: 244 18822.2463 19849.3933 5737.4544 169.6534 -334482.6010 21720.5677 0.0000 0.0000 45629.1663 -222554.1195 165.9864 -268183.2859 -222078.7772 165.9864 -2667.7298 -2573.2150 921491.4634 -2667.7298 -2573.2150
ENERGY: 245 20148.2367 19811.7599 5725.7785 171.4559 -334087.5948 21701.2471 0.0000 0.0000 44168.5249 -222360.5918 160.6730 -266529.1167 -222068.6366 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5481 19853.7025 5716.8932 174.1558 -334213.1208 21705.0851 0.0000 0.0000 43600.4182 -222284.3179 158.6063 -265884.7361 -222067.4296 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6441 5712.7400 177.5412 -334802.1845 21719.8455 0.0000 0.0000 44912.1912 -222431.6938 163.3782 -267343.8849 -222068.1395 163.3782 -983.0001 -2552.5930 921491.4634 -983.0001 -2552.5930
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1357 21746.4312 0.0000 0.0000 46185.9361 -222595.6867 168.0117 -268781.6228 -222090.3129 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9041 20013.1599 5733.2541 193.8023 -336093.2677 21826.9296 0.0000 0.0000 43905.3719 -222425.8457 159.7157 -266331.2177 -222091.3306 159.7157 -3843.4681 -2758.0339 921491.4634 -3843.4681 -2758.0339
ENERGY: 253 19499.8637 19667.1122 5729.5496 195.2411 -334977.1807 21784.0537 0.0000 0.0000 45520.0191 -222581.3413 165.5893 -268101.3604 -222082.7207 165.5893 -3300.1272 -2735.8132 921491.4634 -3300.1272 -2735.8132
ENERGY: 254 19073.0880 19348.2296 5720.5008 195.9622 -333839.8798 21752.6525 0.0000 0.0000 45220.9194 -222528.5273 164.5013 -267749.4468 -222080.4688 164.5013 -2707.1336 -2696.1701 921491.4634 -2707.1336 -2696.1701
ENERGY: 255 20324.2310 19109.4101 5707.6062 196.0621 -333099.9233 21746.1516 0.0000 0.0000 43667.4211 -222349.0412 158.8501 -266016.4623 -222078.3977 158.8501 -2282.5424 -2662.7814 921491.4634 -2282.5424 -2662.7814
ENERGY: 256 20899.4409 18950.9578 5693.4518 195.6570 -332975.5972 21757.6848 0.0000 0.0000 43181.1611 -222297.2438 157.0812 -265478.4049 -222071.2740 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5654 18878.1873 5681.1759 194.7976 -333481.0039 21780.2420 0.0000 0.0000 44488.5467 -222428.4891 161.8371 -266917.0357 -222060.1684 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1544 21817.5078 0.0000 0.0000 45796.2577 -222556.7762 166.5942 -268353.0338 -222062.0608 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.618, 0.469821/step Wall: 123.618, 0.469821/step, 0.0313214 hours remaining, 3223.914062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 262 21606.2724 19814.6776 5694.0656 188.7122 -336291.7861 21947.6074 0.0000 0.0000 44601.6346 -222438.8163 162.2485 -267040.4509 -222052.4326 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1228 20140.5621 5703.8103 187.9445 -335614.9715 21924.4740 0.0000 0.0000 45349.7771 -222527.2807 164.9700 -267877.0578 -222051.1550 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2259 20436.4305 5710.6950 187.5052 -334855.9512 21907.7772 0.0000 0.0000 44751.4784 -222476.8389 162.7936 -267228.3173 -222069.1984 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8415 20681.9926 5713.6241 187.4392 -334395.6633 21906.0163 0.0000 0.0000 43607.6374 -222352.1121 158.6326 -265959.7495 -222054.3372 158.6326 -2038.0573 -2683.6035 921491.4634 -2038.0573 -2683.6035
ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4578 21914.4805 0.0000 0.0000 43399.3796 -222348.1913 157.8750 -265747.5709 -222054.3635 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0906 20691.2679 5707.0583 187.8501 -334831.4856 21930.8374 0.0000 0.0000 44220.2167 -222446.1646 160.8610 -266666.3814 -222055.6585 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9160 20375.7516 5700.1930 187.9286 -335513.7452 21959.1257 0.0000 0.0000 44823.5377 -222504.2926 163.0557 -267327.8302 -222075.9877 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1933 19450.9167 5690.3173 187.1618 -336650.6777 22028.8071 0.0000 0.0000 44308.0075 -222365.2740 161.1804 -266673.2815 -222067.0436 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
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ENERGY: 272 21021.5584 18896.0661 5692.8269 184.9335 -335921.4613 22015.0580 0.0000 0.0000 45607.7076 -222503.3108 165.9083 -268111.0184 -222081.1570 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7010 21985.5296 0.0000 0.0000 45502.7161 -222499.9693 165.5264 -268002.6854 -222069.0457 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 276 19401.8502 19594.7507 5701.2546 182.4904 -333292.1280 21971.0410 0.0000 0.0000 44028.5270 -222412.2140 160.1637 -266440.7410 -222072.9394 160.1637 -1580.1300 -2417.6041 921491.4634 -1580.1300 -2417.6041
ENERGY: 277 19149.2972 19724.7159 5695.5210 182.9396 -333864.3452 21997.2387 0.0000 0.0000 44632.8111 -222481.8217 162.3619 -267114.6328 -222061.0987 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7758 5686.9122 183.6585 -334821.1001 22041.3359 0.0000 0.0000 44532.2540 -222463.7061 161.9961 -266995.9601 -222063.4130 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3649 19593.9428 5677.5176 184.5187 -335888.5799 22096.4199 0.0000 0.0000 43975.0881 -222376.7278 159.9693 -266351.8159 -222065.2023 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 132.998, 0.469015/step Wall: 132.998, 0.469015/step, 0.028662 hours remaining, 3223.914062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 282 20943.7898 19615.5377 5669.9796 186.8360 -336942.5035 22176.7655 0.0000 0.0000 45823.3370 -222526.2580 166.6927 -268349.5950 -222063.3318 166.6927 -2992.3272 -2779.3669 921491.4634 -2992.3272 -2779.3669
ENERGY: 283 20432.1060 19966.6614 5678.8137 187.1634 -336251.9202 22171.0649 0.0000 0.0000 45328.8520 -222487.2589 164.8939 -267816.1109 -222060.8461 164.8939 -2008.7737 -2748.2307 921491.4634 -2008.7737 -2748.2307
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ENERGY: 286 19396.6309 20966.5623 5721.5031 185.8229 -334658.1149 22176.6864 0.0000 0.0000 43785.6880 -222425.2213 159.2803 -266210.9093 -222054.0583 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1190 20856.7823 5731.9346 184.4714 -334918.1481 22200.2911 0.0000 0.0000 44282.9436 -222485.6060 161.0892 -266768.5496 -222055.7254 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2088 20475.2852 5736.9557 182.7335 -335468.3148 22237.9038 0.0000 0.0000 44116.9903 -222455.2375 160.4855 -266572.2278 -222066.9053 160.4855 -3310.5879 -2790.1553 921491.4634 -3310.5879 -2790.1553
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.309
LDB: Largest compute 200 load 0.519851 is 1.1% of average load 45.717619
LDB: Average compute 0.064042 is 0.1% of average load 45.717619
LDB: TIME 148.311 LOAD: AVG 45.7176 MAX 46.9927 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.27 MB
LDB: TIME 148.311 LOAD: AVG 45.7176 MAX 46.9927 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.27 MB
LDB: TIME 148.326 LOAD: AVG 45.7176 MAX 46.2382 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.27 MB
LDB: ============== END OF LOAD BALANCING =============== 148.327
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.329
Info: Initial time: 4 CPUs 0.469568 s/step 5.43482 days/ns 3224.27 MB memory
TIMING: 300 CPU: 142.377, 0.46891/step Wall: 142.377, 0.46891/step, 0.0260506 hours remaining, 3224.269531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 151.599, 0.461137/step Wall: 151.599, 0.461137/step, 0.0230568 hours remaining, 3224.269531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 160.813, 0.460677/step Wall: 160.813, 0.460677/step, 0.0204745 hours remaining, 3224.269531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 360 CPU: 170.018, 0.460251/step Wall: 170.018, 0.460251/step, 0.0178986 hours remaining, 3224.269531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 378 20473.8099 20495.6592 5711.4639 183.2952 -336584.2276 22821.5833 0.0000 0.0000 44474.7535 -222423.6626 161.7869 -266898.4161 -222044.3972 161.7869 -2972.9875 -2523.3500 921491.4634 -2972.9875 -2523.3500
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TIMING: 380 CPU: 179.219, 0.460063/step Wall: 179.219, 0.460063/step, 0.0153354 hours remaining, 3224.269531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 384 19625.4111 19596.0351 5710.5349 179.0647 -336052.0480 22884.2530 0.0000 0.0000 45539.1833 -222517.5659 165.6590 -268056.7492 -222062.0927 165.6590 -569.2378 -2166.9358 921491.4634 -569.2378 -2166.9358
ENERGY: 385 19327.8179 19356.8910 5707.7751 177.4354 -335210.6395 22871.6139 0.0000 0.0000 45299.7171 -222469.3891 164.7879 -267769.1061 -222051.0994 164.7879 215.3516 -2064.3637 921491.4634 215.3516 -2064.3637
ENERGY: 386 19981.2272 19220.9464 5707.6637 175.9385 -334865.1812 22880.7953 0.0000 0.0000 44519.8584 -222378.7517 161.9510 -266898.6101 -222051.0439 161.9510 122.6670 -2011.2428 921491.4634 122.6670 -2011.2428
ENERGY: 387 20367.2860 19202.4844 5710.9354 174.6759 -335109.8721 22905.2739 0.0000 0.0000 44377.1813 -222372.0350 161.4320 -266749.2164 -222053.0051 161.4320 -738.9585 -2019.1689 921491.4634 -738.9585 -2019.1689
ENERGY: 388 20282.3987 19280.0169 5717.2934 173.7038 -335824.1517 22938.2896 0.0000 0.0000 44972.7758 -222459.6734 163.5986 -267432.4493 -222067.4821 163.5986 -2063.8555 -2076.2822 921491.4634 -2063.8555 -2076.2822
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8115 20133.3590 5716.9814 176.0456 -336812.3375 23014.0581 0.0000 0.0000 45592.7319 -222486.3501 165.8538 -268079.0820 -222045.7227 165.8538 -1710.2239 -2443.6967 921491.4634 -1710.2239 -2443.6967
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LDB: ============= START OF LOAD BALANCING ============== 194.374
LDB: Largest compute 230 load 0.531002 is 1.2% of average load 45.615343
LDB: Average compute 0.063874 is 0.1% of average load 45.615343
LDB: TIME 194.376 LOAD: AVG 45.6153 MAX 46.0452 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.27 MB
LDB: TIME 194.376 LOAD: AVG 45.6153 MAX 46.0452 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.27 MB
LDB: TIME 194.377 LOAD: AVG 45.6153 MAX 46.0452 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.27 MB
LDB: ============== END OF LOAD BALANCING =============== 194.377
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.378
Info: Benchmark time: 4 CPUs 0.460396 s/step 5.32866 days/ns 3224.27 MB memory
TIMING: 400 CPU: 188.42, 0.460056/step Wall: 188.42, 0.460056/step, 0.0127793 hours remaining, 3224.269531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 403 20784.9693 19778.4824 5715.7218 174.2695 -337239.9776 23077.8397 0.0000 0.0000 45225.5960 -222483.0988 164.5183 -267708.6948 -222046.6858 164.5183 -3613.5978 -2605.7429 921491.4634 -3613.5978 -2605.7429
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ENERGY: 408 19735.8469 19387.6644 5692.2151 187.5226 -335902.8213 23017.8169 0.0000 0.0000 45394.4117 -222487.3437 165.1324 -267881.7554 -222063.5316 165.1324 -920.8283 -2294.1557 921491.4634 -920.8283 -2294.1557
ENERGY: 409 20350.1187 19376.4608 5688.4775 191.1593 -336896.6842 23057.9918 0.0000 0.0000 45733.6054 -222498.8708 166.3663 -268232.4762 -222051.6709 166.3663 -2367.4922 -2346.9326 921491.4634 -2367.4922 -2346.9326
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 413 21130.1416 20138.5246 5699.9334 199.7191 -337872.5316 23125.1113 0.0000 0.0000 45113.2142 -222465.8874 164.1095 -267579.1016 -222055.3458 164.1095 -3850.6270 -2398.9550 921491.4634 -3850.6270 -2398.9550
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ENERGY: 415 19745.2666 20572.1256 5708.7452 198.1487 -336456.1971 23071.1989 0.0000 0.0000 44733.2272 -222427.4849 162.7272 -267160.7122 -222049.0351 162.7272 -1174.6452 -2266.5616 921491.4634 -1174.6452 -2266.5616
ENERGY: 416 19942.3170 20661.9893 5710.0857 195.6953 -336157.5859 23063.1713 0.0000 0.0000 44200.2849 -222384.0424 160.7885 -266584.3273 -222052.9647 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3749 20631.3207 5709.0494 192.4696 -336373.1074 23072.1097 0.0000 0.0000 44338.4619 -222398.3212 161.2911 -266736.7832 -222044.6996 161.2911 -112.4554 -2227.1700 921491.4634 -112.4554 -2227.1700
ENERGY: 418 20154.6648 20457.0907 5705.5847 188.6536 -336970.7867 23098.6725 0.0000 0.0000 44915.1423 -222450.9781 163.3889 -267366.1204 -222046.7096 163.3889 -671.8547 -2269.9921 921491.4634 -671.8547 -2269.9921
ENERGY: 419 20790.7632 20185.5522 5700.4810 184.6054 -337717.8757 23139.8022 0.0000 0.0000 45250.3101 -222466.3616 164.6082 -267716.6717 -222049.5953 164.6082 -1783.9423 -2336.6465 921491.4634 -1783.9423 -2336.6465
TIMING: 420 CPU: 197.601, 0.459012/step Wall: 197.601, 0.459012/step, 0.0102003 hours remaining, 3224.269531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 424 20531.3310 19270.7817 5692.6542 170.6563 -336406.2768 23140.4646 0.0000 0.0000 45151.0456 -222449.3434 164.2471 -267600.3890 -222060.4131 164.2471 -3030.1608 -2370.2033 921491.4634 -3030.1608 -2370.2033
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ENERGY: 426 19603.3346 19432.3072 5702.4947 169.0990 -335270.6878 23080.2892 0.0000 0.0000 44862.7381 -222420.4250 163.1983 -267283.1631 -222049.1093 163.1983 -1125.8049 -2237.7214 921491.4634 -1125.8049 -2237.7214
ENERGY: 427 19598.5315 19595.2901 5707.1504 168.7509 -335498.4321 23074.5007 0.0000 0.0000 44915.2771 -222438.9314 163.3894 -267354.2085 -222048.7342 163.3894 -741.9009 -2207.6355 921491.4634 -741.9009 -2207.6355
ENERGY: 428 20140.4227 19760.4172 5710.4628 168.5259 -336199.9853 23087.7677 0.0000 0.0000 44884.2590 -222448.1300 163.2766 -267332.3890 -222058.0552 163.2766 -935.5731 -2206.9583 921491.4634 -935.5731 -2206.9583
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9874 20024.3737 5712.1700 168.1897 -338096.9203 23149.4493 0.0000 0.0000 44626.3093 -222402.4409 162.3382 -267028.7502 -222047.3918 162.3382 -2472.2456 -2268.0464 921491.4634 -2472.2456 -2268.0464
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ENERGY: 432 21768.3704 20188.6721 5710.3546 168.1086 -338651.2099 23176.0846 0.0000 0.0000 45177.9905 -222461.6290 164.3451 -267639.6196 -222065.9063 164.3451 -3350.2741 -2296.1497 921491.4634 -3350.2741 -2296.1497
ENERGY: 433 21200.9072 20275.9661 5710.3763 168.4633 -338164.0634 23162.2910 0.0000 0.0000 45192.9279 -222453.1316 164.3995 -267646.0595 -222052.5987 164.3995 -3187.3732 -2272.1276 921491.4634 -3187.3732 -2272.1276
ENERGY: 434 20730.3412 20338.1497 5711.6061 169.3247 -337394.2699 23140.7735 0.0000 0.0000 44883.0992 -222420.9757 163.2724 -267304.0748 -222051.1467 163.2724 -2694.3107 -2227.7885 921491.4634 -2694.3107 -2227.7885
ENERGY: 435 20235.2201 20362.4013 5714.0003 170.8455 -336680.6550 23123.4097 0.0000 0.0000 44675.9833 -222398.7949 162.5189 -267074.7782 -222049.5894 162.5189 -2061.3581 -2179.8951 921491.4634 -2061.3581 -2179.8951
ENERGY: 436 19670.9241 20349.9980 5717.2345 173.0864 -336303.8807 23119.9077 0.0000 0.0000 44847.0978 -222425.6321 163.1414 -267272.7299 -222059.6963 163.1414 -1520.6597 -2145.1616 921491.4634 -1520.6597 -2145.1616
ENERGY: 437 19434.5514 20329.5092 5720.9893 175.9827 -336411.9780 23136.3868 0.0000 0.0000 45159.2682 -222455.2905 164.2770 -267614.5587 -222050.7507 164.2770 -1319.1168 -2134.4848 921491.4634 -1319.1168 -2134.4848
ENERGY: 438 19935.1530 20278.6096 5724.6883 179.3848 -336899.4573 23173.5519 0.0000 0.0000 45148.1319 -222459.9377 164.2365 -267608.0697 -222051.5672 164.2365 -1493.0941 -2145.0880 921491.4634 -1493.0941 -2145.0880
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TIMING: 440 CPU: 206.772, 0.458594/step Wall: 206.772, 0.458594/step, 0.00764324 hours remaining, 3224.269531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5683 20036.2373 5729.7527 186.7201 -338123.1808 23276.2486 0.0000 0.0000 44417.5454 -222405.1084 161.5788 -266822.6538 -222059.4778 161.5788 -2408.4613 -2197.9671 921491.4634 -2408.4613 -2197.9671
ENERGY: 441 22355.5485 19860.0411 5730.3488 190.1145 -338361.1717 23313.2045 0.0000 0.0000 44502.6959 -222409.2184 161.8886 -266911.9143 -222050.0865 161.8886 -2716.1028 -2221.5314 921491.4634 -2716.1028 -2221.5314
ENERGY: 442 21853.6117 19664.5352 5729.4854 192.9411 -338090.1535 23327.1568 0.0000 0.0000 44880.6314 -222441.7918 163.2634 -267322.4232 -222049.7760 163.2634 -2710.5576 -2229.0696 921491.4634 -2710.5576 -2229.0696
ENERGY: 443 21064.3315 19487.0726 5727.6164 194.9329 -337369.3151 23320.0159 0.0000 0.0000 45118.1099 -222457.2359 164.1273 -267575.3458 -222048.6000 164.1273 -2448.1648 -2220.3531 921491.4634 -2448.1648 -2220.3531
ENERGY: 444 20449.3363 19357.2693 5725.4095 195.8735 -336464.1920 23301.5277 0.0000 0.0000 44987.7167 -222447.0590 163.6529 -267434.7757 -222057.9800 163.6529 -2090.2099 -2206.4399 921491.4634 -2090.2099 -2206.4399
ENERGY: 445 20125.5607 19307.2520 5723.6513 195.6942 -335759.3910 23283.8140 0.0000 0.0000 44708.7144 -222414.7044 162.6380 -267123.4188 -222046.5431 162.6380 -1846.9625 -2201.6925 921491.4634 -1846.9625 -2201.6925
ENERGY: 446 19947.6803 19324.9008 5722.5430 194.3235 -335494.5703 23276.0452 0.0000 0.0000 44620.2934 -222408.7841 162.3164 -267029.0775 -222046.1623 162.3164 -1800.7517 -2216.7293 921491.4634 -1800.7517 -2216.7293
ENERGY: 447 19914.2846 19416.0210 5722.2107 191.8641 -335769.4393 23282.7459 0.0000 0.0000 44816.5077 -222425.8052 163.0301 -267242.3129 -222046.8345 163.0301 -1993.3111 -2253.0602 921491.4634 -1993.3111 -2253.0602
ENERGY: 448 20187.5920 19583.6799 5722.5764 188.5554 -336503.1792 23303.8905 0.0000 0.0000 45065.6662 -222451.2188 163.9365 -267516.8850 -222059.3483 163.9365 -2372.1877 -2303.7898 921491.4634 -2372.1877 -2303.7898
ENERGY: 449 20877.4059 19832.6984 5723.5712 184.8596 -337500.9062 23334.5923 0.0000 0.0000 45101.1664 -222446.6122 164.0656 -267547.7787 -222047.7102 164.0656 -2827.1080 -2356.1406 921491.4634 -2827.1080 -2356.1406
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4853 20108.1297 5724.4776 181.0897 -338419.3239 23364.6243 0.0000 0.0000 44854.3083 -222432.2089 163.1676 -267286.5172 -222048.7864 163.1676 -3116.6756 -2394.3895 921491.4634 -3116.6756 -2394.3895
ENERGY: 451 22355.5901 20357.7252 5724.7144 177.6517 -338952.0897 23381.8007 0.0000 0.0000 44542.6973 -222411.9103 162.0341 -266954.6076 -222048.8249 162.0341 -3074.2533 -2405.7797 921491.4634 -3074.2533 -2405.7797
ENERGY: 452 22246.2014 20536.0131 5723.8953 174.8859 -338927.1526 23378.0944 0.0000 0.0000 44452.9183 -222415.1442 161.7075 -266868.0625 -222059.6373 161.7075 -2659.9605 -2384.7567 921491.4634 -2659.9605 -2384.7567
ENERGY: 453 21399.8726 20641.1308 5722.2878 173.1350 -338392.7923 23354.5907 0.0000 0.0000 44683.7020 -222418.0733 162.5470 -267101.7753 -222043.5374 162.5470 -2048.3338 -2342.4667 921491.4634 -2048.3338 -2342.4667
ENERGY: 454 20248.3381 20654.1371 5720.2217 172.3637 -337567.1404 23320.6901 0.0000 0.0000 45008.1453 -222443.2444 163.7273 -267451.3897 -222041.8394 163.7273 -1453.4579 -2293.1450 921491.4634 -1453.4579 -2293.1450
ENERGY: 455 19486.7905 20584.7118 5718.4844 172.5169 -336790.6444 23290.4023 0.0000 0.0000 45086.5778 -222451.1606 164.0126 -267537.7384 -222040.8573 164.0126 -1151.8824 -2255.8572 921491.4634 -1151.8824 -2255.8572
ENERGY: 456 19493.3720 20440.6798 5717.7556 173.4248 -336350.1071 23274.9630 0.0000 0.0000 44811.4719 -222438.4400 163.0118 -267249.9119 -222055.3491 163.0118 -1305.5005 -2245.5824 921491.4634 -1305.5005 -2245.5824
ENERGY: 457 20047.4927 20251.9433 5718.5580 174.9241 -336395.8163 23277.8273 0.0000 0.0000 44521.8701 -222403.2007 161.9583 -266925.0708 -222049.4138 161.9583 -1906.4166 -2263.5014 921491.4634 -1906.4166 -2263.5014
ENERGY: 458 20585.8434 20019.2721 5720.7061 176.6081 -336835.0960 23294.7171 0.0000 0.0000 44632.7887 -222405.1604 162.3618 -267037.9491 -222051.2827 162.3618 -2684.6989 -2301.0429 921491.4634 -2684.6989 -2301.0429
ENERGY: 459 20903.4945 19784.9689 5724.0022 178.1984 -337468.1647 23318.6981 0.0000 0.0000 45113.9368 -222444.8657 164.1121 -267558.8025 -222053.1416 164.1121 -3350.5834 -2341.5798 921491.4634 -3350.5834 -2341.5798
TIMING: 460 CPU: 215.94, 0.458355/step Wall: 215.94, 0.458355/step, 0.00509283 hours remaining, 3224.269531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6138 19597.9064 5728.0972 179.4910 -338014.3769 23341.7999 0.0000 0.0000 45423.8569 -222480.6117 165.2395 -267904.4686 -222064.6837 165.2395 -3669.8204 -2365.2414 921491.4634 -3669.8204 -2365.2414
ENERGY: 461 21862.8762 19507.1078 5732.5753 180.4333 -338251.6220 23355.3932 0.0000 0.0000 45154.6143 -222458.6220 164.2601 -267613.2362 -222058.0507 164.2601 -3556.1669 -2361.1801 921491.4634 -3556.1669 -2361.1801
ENERGY: 462 22264.2256 19487.8113 5736.4823 180.9531 -337988.7175 23351.1082 0.0000 0.0000 44559.9295 -222408.2075 162.0968 -266968.1370 -222056.7214 162.0968 -2954.8203 -2323.4253 921491.4634 -2954.8203 -2323.4253
ENERGY: 463 21821.1793 19513.9020 5738.9361 181.1160 -337284.1033 23326.9473 0.0000 0.0000 44313.4574 -222388.5653 161.2002 -266702.0226 -222054.6243 161.2002 -2012.4427 -2264.0780 921491.4634 -2012.4427 -2264.0780
ENERGY: 464 20535.2462 19559.9276 5739.2519 181.0096 -336389.3848 23291.1937 0.0000 0.0000 44654.0270 -222428.7289 162.4391 -267082.7559 -222058.5734 162.4391 -1050.9230 -2205.5271 921491.4634 -1050.9230 -2205.5271
ENERGY: 465 19322.7827 19631.8857 5737.2899 180.7155 -335701.1540 23259.7386 0.0000 0.0000 45094.5692 -222474.1724 164.0416 -267568.7417 -222052.9393 164.0416 -512.3349 -2174.4011 921491.4634 -512.3349 -2174.4011
ENERGY: 466 19088.4509 19708.3582 5733.2107 180.2808 -335443.7729 23245.0598 0.0000 0.0000 45020.7914 -222467.6211 163.7733 -267488.4125 -222052.9790 163.7733 -630.3316 -2182.6713 921491.4634 -630.3316 -2182.6713
ENERGY: 467 19841.8069 19783.1741 5727.6704 179.7757 -335721.0952 23249.4523 0.0000 0.0000 44523.6671 -222415.5487 161.9649 -266939.2158 -222054.3500 161.9649 -1393.6032 -2232.5927 921491.4634 -1393.6032 -2232.5927
ENERGY: 468 20761.8482 19845.4939 5721.5090 179.2779 -336451.5664 23265.8119 0.0000 0.0000 44291.6589 -222385.9667 161.1209 -266677.6256 -222056.3595 161.1209 -2508.6717 -2314.1343 921491.4634 -2508.6717 -2314.1343
ENERGY: 469 21236.3017 19910.2017 5715.6824 178.8504 -337458.3198 23284.3955 0.0000 0.0000 44720.3206 -222412.5676 162.6802 -267132.8882 -222046.0754 162.6802 -3596.7409 -2405.7975 921491.4634 -3596.7409 -2405.7975
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1731 19972.8929 5710.9491 178.5947 -338383.2502 23297.0665 0.0000 0.0000 45346.4578 -222466.1160 164.9580 -267812.5738 -222047.6092 164.9580 -4259.6999 -2477.6834 921491.4634 -4259.6999 -2477.6834
ENERGY: 471 21732.8678 20054.6830 5707.9626 178.5890 -338913.2445 23297.5078 0.0000 0.0000 45471.3369 -222470.2975 165.4122 -267941.6343 -222047.5363 165.4122 -4290.5688 -2504.3178 921491.4634 -4290.5688 -2504.3178
ENERGY: 472 22081.2362 20161.5546 5707.0091 178.9047 -338870.6758 23279.4484 0.0000 0.0000 45028.5296 -222433.9932 163.8014 -267462.5229 -222059.5061 163.8014 -3659.7364 -2479.9186 921491.4634 -3659.7364 -2479.9186
ENERGY: 473 21866.1364 20289.3421 5707.9843 179.6165 -338307.7181 23240.7356 0.0000 0.0000 44634.5171 -222389.3862 162.3681 -267023.9033 -222043.8543 162.3681 -2556.3619 -2408.1660 921491.4634 -2556.3619 -2408.1660
ENERGY: 474 20842.9704 20372.0980 5710.2161 180.7466 -337438.4542 23189.2341 0.0000 0.0000 44733.2305 -222409.9585 162.7272 -267143.1889 -222041.2623 162.7272 -1295.5527 -2316.2730 921491.4634 -1295.5527 -2316.2730
ENERGY: 475 19674.2078 20371.7668 5712.9876 182.2512 -336604.2303 23142.3811 0.0000 0.0000 45070.2139 -222450.4220 163.9531 -267520.6358 -222039.4533 163.9531 -344.6451 -2232.2128 921491.4634 -344.6451 -2232.2128
ENERGY: 476 19235.7859 20282.0269 5715.7683 184.0125 -336100.0895 23115.8460 0.0000 0.0000 45106.0635 -222460.5864 164.0835 -267566.6498 -222053.6140 164.0835 -92.4051 -2183.0655 921491.4634 -92.4051 -2183.0655
ENERGY: 477 19704.7249 20145.9808 5718.4976 185.9230 -336101.8784 23114.2933 0.0000 0.0000 44812.3210 -222420.1377 163.0149 -267232.4586 -222044.8413 163.0149 -667.4948 -2171.8231 921491.4634 -667.4948 -2171.8231
ENERGY: 478 20493.4777 19974.7635 5721.0254 187.7262 -336537.4033 23131.2455 0.0000 0.0000 44627.0334 -222402.1316 162.3409 -267029.1650 -222047.4109 162.3409 -1807.1606 -2198.7959 921491.4634 -1807.1606 -2198.7959
ENERGY: 479 21125.3059 19793.3955 5723.3295 189.2099 -337215.5838 23156.6767 0.0000 0.0000 44802.1579 -222425.5085 162.9779 -267227.6664 -222050.5462 162.9779 -3089.8518 -2246.7920 921491.4634 -3089.8518 -2246.7920
TIMING: 480 CPU: 225.103, 0.458165/step Wall: 225.103, 0.458165/step, 0.00254536 hours remaining, 3224.269531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0327 19623.1966 5725.3111 190.1901 -337854.6788 23181.5113 0.0000 0.0000 45051.6817 -222458.7553 163.8856 -267510.4370 -222064.6212 163.8856 -4077.7328 -2291.4893 921491.4634 -4077.7328 -2291.4893
ENERGY: 481 22092.4854 19510.0437 5727.0952 190.6351 -338199.2486 23196.7954 0.0000 0.0000 45041.3371 -222440.8566 163.8480 -267482.1937 -222052.5268 163.8480 -4466.2396 -2305.6734 921491.4634 -4466.2396 -2305.6734
ENERGY: 482 22186.3469 19466.6799 5728.4963 190.3598 -338044.5424 23192.7470 0.0000 0.0000 44865.8522 -222414.0603 163.2096 -267279.9125 -222051.4115 163.2096 -4059.3100 -2278.0617 921491.4634 -4059.3100 -2278.0617
ENERGY: 483 21553.1415 19511.5750 5729.5660 189.3227 -337426.2191 23165.8737 0.0000 0.0000 44861.8971 -222414.8432 163.1953 -267276.7403 -222048.7675 163.1953 -2964.1725 -2216.4118 921491.4634 -2964.1725 -2216.4118
ENERGY: 484 20460.8927 19631.1943 5730.2465 187.5455 -336590.8890 23126.1348 0.0000 0.0000 45003.6033 -222451.2719 163.7107 -267454.8753 -222059.8744 163.7107 -1565.2428 -2143.1853 921491.4634 -1565.2428 -2143.1853
ENERGY: 485 19688.7720 19800.2994 5730.5256 185.2458 -335902.5871 23092.8468 0.0000 0.0000 44955.5728 -222449.3248 163.5360 -267404.8976 -222045.9608 163.5360 -422.1572 -2086.8738 921491.4634 -422.1572 -2086.8738
ENERGY: 486 19602.5426 19954.8177 5729.7197 182.4662 -335612.3571 23080.3805 0.0000 0.0000 44645.9120 -222416.5184 162.4096 -267062.4304 -222044.6763 162.4096 87.3178 -2070.0985 921491.4634 87.3178 -2070.0985
ENERGY: 487 19881.0925 20072.0212 5727.4347 179.4360 -335846.4484 23091.0542 0.0000 0.0000 44503.3496 -222392.0602 161.8910 -266895.4098 -222045.2409 161.8910 -192.2348 -2106.8843 921491.4634 -192.2348 -2106.8843
ENERGY: 488 20125.2099 20156.1359 5723.5441 176.4338 -336552.5451 23118.8614 0.0000 0.0000 44827.0559 -222425.3041 163.0685 -267252.3600 -222057.1938 163.0685 -1145.7534 -2194.6681 921491.4634 -1145.7534 -2194.6681
ENERGY: 489 20526.8872 20236.4605 5718.5748 173.8639 -337540.4652 23156.7308 0.0000 0.0000 45266.1006 -222461.8473 164.6656 -267727.9479 -222045.6085 164.6656 -2511.2405 -2316.7068 921491.4634 -2511.2405 -2316.7068
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7490 20292.9018 5712.8912 171.8438 -338458.1357 23196.4876 0.0000 0.0000 45213.5630 -222459.6993 164.4745 -267673.2624 -222048.2208 164.4745 -3823.4040 -2437.4156 921491.4634 -3823.4040 -2437.4156
ENERGY: 491 22430.4641 20312.1356 5707.3795 170.5404 -338984.5788 23226.0935 0.0000 0.0000 44733.0089 -222404.9568 162.7264 -267137.9657 -222049.4638 162.7264 -4629.6936 -2524.6216 921491.4634 -4629.6936 -2524.6216
ENERGY: 492 22612.9548 20289.6806 5702.9944 170.0208 -338937.5812 23232.7204 0.0000 0.0000 44542.1949 -222387.0153 162.0323 -266929.2102 -222060.3863 162.0323 -4606.8527 -2557.4731 921491.4634 -4606.8527 -2557.4731
ENERGY: 493 21558.2188 20260.7370 5700.7779 170.3201 -338358.0628 23214.0535 0.0000 0.0000 45033.8228 -222420.1329 163.8207 -267453.9556 -222046.5903 163.8207 -3796.3822 -2540.0998 921491.4634 -3796.3822 -2540.0998
ENERGY: 494 20068.3365 20225.0257 5700.9805 171.2193 -337454.3829 23183.0794 0.0000 0.0000 45622.2474 -222483.4942 165.9612 -268105.7416 -222044.0870 165.9612 -2500.8995 -2482.1070 921491.4634 -2500.8995 -2482.1070
ENERGY: 495 19383.2461 20186.8298 5703.5926 172.5416 -336566.9881 23159.4623 0.0000 0.0000 45484.1229 -222477.1928 165.4587 -267961.3157 -222041.5566 165.4587 -1249.6839 -2407.3057 921491.4634 -1249.6839 -2407.3057
ENERGY: 496 19722.4833 20130.6470 5708.0350 174.0933 -335998.7149 23154.2634 0.0000 0.0000 44699.5267 -222409.6661 162.6046 -267109.1928 -222049.0672 162.6046 -478.8998 -2343.4751 921491.4634 -478.8998 -2343.4751
ENERGY: 497 20212.6669 20059.9175 5713.4613 175.7242 -335952.5037 23166.3544 0.0000 0.0000 44261.0283 -222363.3512 161.0095 -266624.3794 -222042.7502 161.0095 -421.0232 -2316.7929 921491.4634 -421.0232 -2316.7929
ENERGY: 498 20182.0165 19957.1216 5718.5597 177.2604 -336366.4928 23189.3583 0.0000 0.0000 44728.2529 -222413.9235 162.7091 -267142.1763 -222044.5221 162.7091 -993.4680 -2331.6474 921491.4634 -993.4680 -2331.6474
ENERGY: 499 20158.0677 19847.7310 5722.4090 178.6361 -337058.4819 23219.2402 0.0000 0.0000 45439.2639 -222493.1341 165.2956 -267932.3979 -222047.2064 165.2956 -2020.8688 -2376.3391 921491.4634 -2020.8688 -2376.3391
Info: Benchmark time: 4 CPUs 0.457717 s/step 5.29764 days/ns 3224.27 MB memory
TIMING: 500 CPU: 234.192, 0.454464/step Wall: 234.192, 0.454464/step, 0 hours remaining, 3224.269531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8935 19756.6587 5724.4523 179.8271 -337741.4191 23251.1006 0.0000 0.0000 45359.0772 -222495.4096 165.0039 -267854.4869 -222061.0914 165.0039 -3197.5170 -2425.4145 921491.4634 -3197.5170 -2425.4145
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.562 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.562 MB of memory in use
====================================================
WallClock: 241.034668 CPUTime: 241.034668 Memory: 3229.562500 MB
[Partition 0][Node 0] End of program
Application 109582748 resources: utime ~947s, stime ~19s, Rss ~126856, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
WALL=241.034668
CPU=241.034668
MEM=3229.562500
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins15512830601210132139.sh
+ rm -rf /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace/memory /var/lib/jenkins/jobs/NAMD-BW/workspace/namd /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-BW/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/memory
Finished: SUCCESS
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